Mercurial > repos > muon-spectroscopy-computational-project > cif2cell

changeset 5:348d3fb1d1f2 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/cif2cell commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Thu, 18 Jul 2024 09:06:52 +0000
parents 0d13d09ff6b1
children
files cif2cell.xml
diffstat 1 files changed, 5 insertions(+), 5 deletions(-) [+]
line wrap: on
line diff
--- a/cif2cell.xml	Fri Dec 01 11:17:36 2023 +0000
+++ b/cif2cell.xml	Thu Jul 18 09:06:52 2024 +0000
@@ -4,7 +4,7 @@
         <!-- version of underlying tool (PEP 440) -->
         <token name="@TOOL_VERSION@">2.0.0a3</token>
         <!-- version of this tool wrapper (integer) -->
-        <token name="@WRAPPER_VERSION@">3</token>
+        <token name="@WRAPPER_VERSION@">4</token>
     </macros>
     <creator>
         <person givenName="Anish" familyName="Mudaraddi" identifier="https://orcid.org/0000-0002-2135-2705"/>
@@ -23,12 +23,12 @@
     ]]></command>
     <inputs>
         <param type="data" argument="--file" format="cif" label="Structure file to Convert (.cif)" />
-        <param argument="--no-reduce" type="boolean" truevalue="--no-reduce" falsevalue="" label="Do you want to construct a primitive cell using --no-reduce?" help="Use a cif file to convert into a structural (cell) file." />
-        <param argument="--vca" type="boolean" truevalue="--vca" falsevalue="" label="Do you want to set up an alloy using Virtual Crystal Approximation?" help="Use a cif file to convert into a structural (cell) file." />
-        <param argument="--cartesian" type="boolean" truevalue="--cartesian" falsevalue="" label="Do you want to generate any output in cartesian coordinates?" help="Use a cif file to convert into a structural (cell) file." />
+        <param argument="--no-reduce" type="boolean" truevalue="--no-reduce" falsevalue="" label="Preserve unit cell" help="If set, will not reduce to the primitive cell." />
+        <param argument="--vca" type="boolean" truevalue="--vca" falsevalue="" label="Use Virtual Crystal Approximation" help="If set, will set up an alloy using the virtual crystal approximation (VCA). Currently only supported by the CASTEP interface." />
+        <param argument="--cartesian" type="boolean" truevalue="--cartesian" falsevalue="" label="Use Cartesian coordinates" help="If set, the program generates outputs in cartesian coordinates." />
     </inputs>
     <outputs>
-        <data label="Conversion of $file.name to .cell" name="out_cell" format="cell" from_work_dir="out.cell" />
+        <data name="out_cell" format="cell" from_work_dir="out.cell" />
     </outputs>
     <tests>
         <test expect_num_outputs="1">